2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C17H24N4O3 — CID 42998409

IUPAC2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccnn2C(C)C)c(OC)c1
InChIInChI=1S/C17H24N4O3/c1-11(2)21-16(8-9-18-21)20-17(22)12(3)19-14-7-6-13(23-4)10-15(14)24-5/h6-12,19H,1-5H3,(H,20,22)
InChIKeyGGLFSCPERKXAJJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.92
Rot. Bonds7

About 2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 42998409) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID42998409
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccnn2C(C)C)c(OC)c1
InChIInChI=1S/C17H24N4O3/c1-11(2)21-16(8-9-18-21)20-17(22)12(3)19-14-7-6-13(23-4)10-15(14)24-5/h6-12,19H,1-5H3,(H,20,22)
InChIKeyGGLFSCPERKXAJJ-UHFFFAOYSA-N
XLogP2.92
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 134062826
(2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 25385741
N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide
CID 46799719
2-(2,4-dimethoxyanilino)-N-propylpropanamide
CID 43087415
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18155963
N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide
CID 43113547
(2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide
CID 92717913
(2S)-N-(tert-butylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide
CID 35969817
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(2,4-dimethoxyanilino)propanamide
CID 35957798
methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
CID 115619372
N-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide
CID 51281614
(2S)-2-(2,4-dimethoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 40785642

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 42998409) is 2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is COc1ccc(NC(C)C(=O)Nc2ccnn2C(C)C)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is GGLFSCPERKXAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11(2)21-16(8-9-18-21)20-17(22)12(3)19-14-7-6-13(23-4)10-15(14)24-5/h6-12,19H,1-5H3,(H,20,22).
What are the key properties of 2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 332.40 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 42998409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).